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GPCR

Name	fMet-Leu-Phe receptor
Species	Homo sapiens (Human)
Gene	FPR1
Synonym	NFPR N-formylpeptide chemoattractant receptor N-formyl peptide receptor FPR1 FPR formyl peptide receptor 1 fMLP receptor fMLF-R [ Show all ]
Disease	Inflammatory disease Peptic ulcer
Length	350
Amino acid sequence	METNSSLPTNISGGTPAVSAGYLFLDIITYLVFAVTFVLGVLGNGLVIWVAGFRMTHTVTTISYLNLAVADFCFTSTLPFFMVRKAMGGHWPFGWFLCKFVFTIVDINLFGSVFLIALIALDRCVCVLHPVWTQNHRTVSLAKKVIIGPWVMALLLTLPVIIRVTTVPGKTGTVACTFNFSPWTNDPKERINVAVAMLTVRGIIRFIIGFSAPMSIVAVSYGLIATKIHKQGLIKSSRPLRVLSFVAAAFFLCWSPYQVVALIATVRIRELLQGMYKEIGIAVDVTSALAFFNSCLNPMLYVFMGQDFRERLIHALPASLERALTEDSTQTSDTATNSTLPSAEVELQAK
UniProt	P21462
Protein Data Bank	N/A
GPCR-HGmod model	P21462
3D structure model	This predicted structure model is from GPCR-EXP P21462.
BioLiP	N/A
Therapeutic Target Database	T87831
ChEMBL	CHEMBL3359
IUPHAR	222
DrugBank	BE0000995

Ligand

Name	AC1LDEG2
Molecular formula	C20H15BrN2O7
IUPAC name	2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
Molecular weight	475.251
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.4
Synonyms	MLS002583263 C20H15BrN2O7 STK905476 (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione HMS2323N03 877791-08-7 AKOS005183680 MolPort-000-777-643 STL048658 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(2-furylcarbonyl)-3-hydroxy-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one MCULE-2828552187 AB00401659-07 AKOS005701970 MolPort-002-634-768 CHEMBL1307438 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(furan-2-ylcarbonyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-1,5-dihydro-2H-pyrrol-2-one [ Show all ]
Inchi Key	CJDXMEZNQPGKSA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15BrN2O7/c1-9-6-14(22-30-9)23-16(10-7-11(21)17(24)13(8-10)28-2)15(19(26)20(23)27)18(25)12-4-3-5-29-12/h3-8,16,24,26H,1-2H3
PubChem CID	665729
ChEMBL	CHEMBL1307438
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	47700.0 nM	PubChem BioAssay data set	ChEMBL

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